SCHEMBL1379407

SCHEMBL1379407

CC(C)N(C(=O)C(C#N)=Cc1cccnc1)c1ccc2nc(S)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 7/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.38
GAA P10253 1/20 0.37
APP P05067 2/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
PADI4 Q9UM07 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1379405 1.00 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1376385 0.89 KDM4E (0.40) ALDH1A1KMT2AMEN1KDM4EAPP
SCHEMBL1376383 0.89 KDM4E (0.40) ALDH1A1KMT2AMEN1KDM4EAPP
SCHEMBL1376132 0.86 KMT2A (0.44) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1376130 0.86 KMT2A (0.44) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1379587 0.85 APP (0.41) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1379586 0.85 APP (0.41) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1379601 0.85 APP (0.40) ALDH1A1KMT2AMEN1APPMAPT
SCHEMBL1375984 0.85 KDM4E (0.39) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL1375570 0.85 APP (0.40) ALDH1A1KMT2AMEN1KDM4EPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4727579-B2 2011-07-20 JP claimed
US-7897615-B2 e.g. 2-Cyano-3-hydroxy-N-isopropyl-N-(2-mercapto-benzothiazol-6-yl)-3-(4-trifluoromethyl-phenyl)-acrylamide; cardiovascular disorders, antidiabetic, anticarcinogenic, antiischemic agent; obesity, metabolic disorders CHUGAI SCIYAKU KABUSHIKI KAISHA (JP) 2011-03-01 US claimed
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA 2008-07-03 US claimed
US-7285562-B2 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-10-23 US claimed
EP-1648564-B1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-10-17 EP claimed
JP-2007501233-A 2007-01-25 JP claimed
EP-1648564-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-26 EP claimed
WO-2005011812-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITHORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO claimed
US-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050026945-A1 Cyanoamide compounds useful as malonyl-CoA decarboxylase inhibitors ACACA, ACACB, MCCC2 ALDH1A1 533/4885KMT2A 1067/4885MEN1 1792/4885
US-20080161358-A1 Cyanoamide Compounds Useful as Malonyl-COA Decarboxylase Inhibitors ACACA, ACACB, MCCC2 ALDH1A1 544/4885KMT2A 1128/4885MEN1 1636/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.